1-(aminomethyl)-4-propylpyrrolidin-2-one;1-[[(3-amino-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one;1-(chloromethyl)-4-propylpyrrolidin-2-one;2-chloro-3-nitropyridine;1-(imidazo[4,5-b]pyridin-3-ylmethyl)-4-propylpyrrolidin-2-one;1-[[(3-nitro-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one

C61H89Cl2N17O9 — CID 161241638

IUPAC1-(aminomethyl)-4-propylpyrrolidin-2-one;1-[[(3-amino-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one;1-(chloromethyl)-4-propylpyrrolidin-2-one;2-chloro-3-nitropyridine;1-(imidazo[4,5-b]pyridin-3-ylmethyl)-4-propylpyrrolidin-2-one;1-[[(3-nitro-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CCl)C1.CCCC1CC(=O)N(CN)C1.CCCC1CC(=O)N(CNc2ncccc2N)C1.CCCC1CC(=O)N(CNc2ncccc2[N+](=O)[O-])C1.CCCC1CC(=O)N(Cn2cnc3cccnc32)C1.O=[N+]([O-])c1cccnc1Cl
InChIInChI=1S/C14H18N4O.C13H18N4O3.C13H20N4O.C8H14ClNO.C8H16N2O.C5H3ClN2O2/c1-2-4-11-7-13(19)17(8-11)10-18-9-16-12-5-3-6-15-14(12)18;1-2-4-10-7-12(18)16(8-10)9-15-13-11(17(19)20)5-3-6-14-13;1-2-4-10-7-12(18)17(8-10)9-16-13-11(14)5-3-6-15-13;2*1-2-3-7-4-8(11)10(5-7)6-9;6-5-4(8(9)10)2-1-3-7-5/h3,5-6,9,11H,2,4,7-8,10H2,1H3;3,5-6,10H,2,4,7-9H2,1H3,(H,14,15);3,5-6,10H,2,4,7-9,14H2,1H3,(H,15,16);7H,2-6H2,1H3;7H,2-6,9H2,1H3;1-3H
InChIKeyVABWEELLKJBIJB-UHFFFAOYSA-N
MW1275.40 g/mol
LogP9.75
Rot. Bonds22

About 1-(aminomethyl)-4-propylpyrrolidin-2-one;1-[[(3-amino-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one;1-(chloromethyl)-4-propylpyrrolidin-2-one;2-chloro-3-nitropyridine;1-(imidazo[4,5-b]pyridin-3-ylmethyl)-4-propylpyrrolidin-2-one;1-[[(3-nitro-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one

1-(aminomethyl)-4-propylpyrrolidin-2-one;1-[[(3-amino-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one;1-(chloromethyl)-4-propylpyrrolidin-2-one;2-chloro-3-nitropyridine;1-(imidazo[4,5-b]pyridin-3-ylmethyl)-4-propylpyrrolidin-2-one;1-[[(3-nitro-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one (PubChem CID 161241638) has the molecular formula C61H89Cl2N17O9 and a molecular weight of 1275.40 g/mol. Its IUPAC name is 1-(aminomethyl)-4-propylpyrrolidin-2-one;1-[[(3-amino-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one;1-(chloromethyl)-4-propylpyrrolidin-2-one;2-chloro-3-nitropyridine;1-(imidazo[4,5-b]pyridin-3-ylmethyl)-4-propylpyrrolidin-2-one;1-[[(3-nitro-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(aminomethyl)-4-propylpyrrolidin-2-one;1-[[(3-amino-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one;1-(chloromethyl)-4-propylpyrrolidin-2-one;2-chloro-3-nitropyridine;1-(imidazo[4,5-b]pyridin-3-ylmethyl)-4-propylpyrrolidin-2-one;1-[[(3-nitro-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one
PubChem CID161241638
Molecular FormulaC61H89Cl2N17O9
Molecular Weight1275.40 g/mol
Exact Mass1273.64
IUPAC Name1-(aminomethyl)-4-propylpyrrolidin-2-one;1-[[(3-amino-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one;1-(chloromethyl)-4-propylpyrrolidin-2-one;2-chloro-3-nitropyridine;1-(imidazo[4,5-b]pyridin-3-ylmethyl)-4-propylpyrrolidin-2-one;1-[[(3-nitro-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CCl)C1.CCCC1CC(=O)N(CN)C1.CCCC1CC(=O)N(CNc2ncccc2N)C1.CCCC1CC(=O)N(CNc2ncccc2[N+](=O)[O-])C1.CCCC1CC(=O)N(Cn2cnc3cccnc32)C1.O=[N+]([O-])c1cccnc1Cl
InChIInChI=1S/C14H18N4O.C13H18N4O3.C13H20N4O.C8H14ClNO.C8H16N2O.C5H3ClN2O2/c1-2-4-11-7-13(19)17(8-11)10-18-9-16-12-5-3-6-15-14(12)18;1-2-4-10-7-12(18)16(8-10)9-15-13-11(17(19)20)5-3-6-14-13;1-2-4-10-7-12(18)17(8-10)9-16-13-11(14)5-3-6-15-13;2*1-2-3-7-4-8(11)10(5-7)6-9;6-5-4(8(9)10)2-1-3-7-5/h3,5-6,9,11H,2,4,7-8,10H2,1H3;3,5-6,10H,2,4,7-9H2,1H3,(H,14,15);3,5-6,10H,2,4,7-9,14H2,1H3,(H,15,16);7H,2-6H2,1H3;7H,2-6,9H2,1H3;1-3H
InChIKeyVABWEELLKJBIJB-UHFFFAOYSA-N
XLogP9.75
TPSA333.31 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001275.40
LogP ≤ 59.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(aminomethyl)-4-propylpyrrolidin-2-one;1-[[(3-amino-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one;1-(chloromethyl)-4-propylpyrrolidin-2-one;2-chloro-3-nitropyridine;1-(imidazo[4,5-b]pyridin-3-ylmethyl)-4-propylpyrrolidin-2-one;1-[[(3-nitro-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one with MolForge

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Related Compounds

1-(3-Amino-2-pyridinyl)pyrrolidin-2-one;carbanide;2-chloro-3-nitropyridine;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-(3-nitro-2-pyridinyl)pyrrolidin-2-one;palladium;pyrrolidin-2-one;2,4,5-trichloro-1-methylpyrimidin-1-ium
CID 157385025
1-[4-[[2-(4-Chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one;3,3-dimethyl-1-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]butan-1-one;3-methyl-1-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]butan-1-one;1-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
CID 157468199
(2S)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(5-chloro-3-ethylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;bis((2S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide);N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylpentanamide
CID 158199887
(2S)-N-(5-chloro-3-ethylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;bis((2S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide);N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylpentanamide;N-[3-(5-fluoro-2-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 158334471
2-(4-aminophenyl)-N-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-amine;N-[4-[3-(3-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide;N-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyrazin-3-amine;N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine;N-(3-chlorophenyl)-2-propan-2-ylimidazo[1,2-a]pyrazin-3-amine
CID 160531724
acetonitrile;4-chloro-3-nitropyridine;deuterio(iodo)methane;methanol;1-methylimidazol-2-amine;3-(1-methylimidazol-2-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;N-(1-methylimidazol-2-yl)-3-nitropyridin-4-amine;4-N-(1-methylimidazol-2-yl)pyridine-3,4-diamine
CID 160861794
6-chloro-3-cyclobutyl-N-(4-methylpent-1-en-2-yl)imidazo[4,5-b]pyridin-2-amine;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(3-methyl-2H-pyrrol-5-yl)acetamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylpropanamide
CID 161564313
N-[(3S)-1-[2-tert-butyl-9-[(3-chloro-2-pyridinyl)methyl]purin-6-yl]pyrrolidin-3-yl]acetamide;N-[(3S)-1-[2-tert-butyl-9-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]purin-6-yl]pyrrolidin-3-yl]acetamide
CID 161759615
1-(3-Amino-2-pyridinyl)pyrrolidin-2-one;carbanide;1-[3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-2-pyridinyl]pyrrolidin-2-one;2-chloro-3-nitropyridine;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]pyrrolidin-2-one;4-(4-methylpiperazin-1-yl)aniline;1-(3-nitro-2-pyridinyl)pyrrolidin-2-one;palladium;pyrrolidin-2-one;2,4,5-trichloropyrimidine
CID 161907496

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-propylpyrrolidin-2-one;1-[[(3-amino-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one;1-(chloromethyl)-4-propylpyrrolidin-2-one;2-chloro-3-nitropyridine;1-(imidazo[4,5-b]pyridin-3-ylmethyl)-4-propylpyrrolidin-2-one;1-[[(3-nitro-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-(aminomethyl)-4-propylpyrrolidin-2-one;1-[[(3-amino-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one;1-(chloromethyl)-4-propylpyrrolidin-2-one;2-chloro-3-nitropyridine;1-(imidazo[4,5-b]pyridin-3-ylmethyl)-4-propylpyrrolidin-2-one;1-[[(3-nitro-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one (CID 161241638) is 1-(aminomethyl)-4-propylpyrrolidin-2-one;1-[[(3-amino-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one;1-(chloromethyl)-4-propylpyrrolidin-2-one;2-chloro-3-nitropyridine;1-(imidazo[4,5-b]pyridin-3-ylmethyl)-4-propylpyrrolidin-2-one;1-[[(3-nitro-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-(aminomethyl)-4-propylpyrrolidin-2-one;1-[[(3-amino-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one;1-(chloromethyl)-4-propylpyrrolidin-2-one;2-chloro-3-nitropyridine;1-(imidazo[4,5-b]pyridin-3-ylmethyl)-4-propylpyrrolidin-2-one;1-[[(3-nitro-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-(aminomethyl)-4-propylpyrrolidin-2-one;1-[[(3-amino-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one;1-(chloromethyl)-4-propylpyrrolidin-2-one;2-chloro-3-nitropyridine;1-(imidazo[4,5-b]pyridin-3-ylmethyl)-4-propylpyrrolidin-2-one;1-[[(3-nitro-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(CCl)C1.CCCC1CC(=O)N(CN)C1.CCCC1CC(=O)N(CNc2ncccc2N)C1.CCCC1CC(=O)N(CNc2ncccc2[N+](=O)[O-])C1.CCCC1CC(=O)N(Cn2cnc3cccnc32)C1.O=[N+]([O-])c1cccnc1Cl.
What is the InChIKey of 1-(aminomethyl)-4-propylpyrrolidin-2-one;1-[[(3-amino-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one;1-(chloromethyl)-4-propylpyrrolidin-2-one;2-chloro-3-nitropyridine;1-(imidazo[4,5-b]pyridin-3-ylmethyl)-4-propylpyrrolidin-2-one;1-[[(3-nitro-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one?
The InChIKey is VABWEELLKJBIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.C13H18N4O3.C13H20N4O.C8H14ClNO.C8H16N2O.C5H3ClN2O2/c1-2-4-11-7-13(19)17(8-11)10-18-9-16-12-5-3-6-15-14(12)18;1-2-4-10-7-12(18)16(8-10)9-15-13-11(17(19)20)5-3-6-14-13;1-2-4-10-7-12(18)17(8-10)9-16-13-11(14)5-3-6-15-13;2*1-2-3-7-4-8(11)10(5-7)6-9;6-5-4(8(9)10)2-1-3-7-5/h3,5-6,9,11H,2,4,7-8,10H2,1H3;3,5-6,10H,2,4,7-9H2,1H3,(H,14,15);3,5-6,10H,2,4,7-9,14H2,1H3,(H,15,16);7H,2-6H2,1H3;7H,2-6,9H2,1H3;1-3H.
What are the key properties of 1-(aminomethyl)-4-propylpyrrolidin-2-one;1-[[(3-amino-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one;1-(chloromethyl)-4-propylpyrrolidin-2-one;2-chloro-3-nitropyridine;1-(imidazo[4,5-b]pyridin-3-ylmethyl)-4-propylpyrrolidin-2-one;1-[[(3-nitro-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one?
1-(aminomethyl)-4-propylpyrrolidin-2-one;1-[[(3-amino-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one;1-(chloromethyl)-4-propylpyrrolidin-2-one;2-chloro-3-nitropyridine;1-(imidazo[4,5-b]pyridin-3-ylmethyl)-4-propylpyrrolidin-2-one;1-[[(3-nitro-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one has a molecular weight of 1275.40 g/mol, XLogP of 9.75, 22 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-propylpyrrolidin-2-one;1-[[(3-amino-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one;1-(chloromethyl)-4-propylpyrrolidin-2-one;2-chloro-3-nitropyridine;1-(imidazo[4,5-b]pyridin-3-ylmethyl)-4-propylpyrrolidin-2-one;1-[[(3-nitro-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 161241638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).